N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6,8-dimethyl-5,7-dioxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6,8-dimethyl-5,7-dioxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6,8-dimethyl-5,7-dioxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G786-1718 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6,8-dimethyl-5,7-dioxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C21 H23 N5 O5 S |
| Smiles: | CC(C)c1nc2c(C(N(C)C(N2C)=O)=O)c(n1)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9241 |
| logD: | 2.9241 |
| logSw: | -3.3531 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.642 |
| InChI Key: | WBQIDUPFRLKEDN-UHFFFAOYSA-N |